Geometry & MOs

Info

ID:	187664
PubChem CID:	77606291
Reduced:	FNSiO5C38H42 (1)
Stoich.:	ABCD5E38F42 (1)
Weight, g/mol:	404.176979
ΔH_f, kcal/mol:	-230.79
Dipole, Da:	3.96
IP(EA), eV:	-8.79(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(dimethylamino)-2-methylpentan-3-yl]phenol;1,1-dioxo-1,2-benzothiazol-3-one

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=CC(=C1)C2=CC(=CC=C2)O)C3(C(C(=O)N3)CCC(C4=CC=C(C=C4)F)O[Si](C)(C)C(C)(C)C)C5=CC=CC=C5

DOS

IR

Vibrations